Reaction Details  Report a problem with these data
Target
Bile acid receptor
Ligand
BDBM50323521
Substrate
n/a
Meas. Tech.
ChEMBL_644903 (CHEMBL1211233)
EC50
1140±n/a nM
Citation
 Abel, U; Schlüter, T; Schulz, A; Hambruch, E; Steeneck, C; Hornberger, M; Hoffmann, T; Perovic-Ottstadt, S; Kinzel, O; Burnet, M; Deuschle, U; Kremoser, C Synthesis and pharmacological validation of a novel series of non-steroidal FXR agonists. Bioorg Med Chem Lett 20:4911-7 (2010) [PubMed]  Article
Target
Name:
Bile acid receptor
Synonyms:
BAR | Bile acid receptor FXR | FXR | Farnesol receptor HRR-1 | HRR1 | NR1H4 | NR1H4_HUMAN | Nuclear receptor subfamily 1 group H member 4 | RIP14 | RXR-interacting protein 14 | Retinoid X receptor-interacting protein 14 | farnesoid x receptor
Type:
Nuclear Receptor
Mol. Mass.:
55916.24
Organism:
Homo sapiens (Human)
Description:
Q96RI1
Residue:
486
Sequence:
MVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQNLEVEPYSQYSNVQFPQVQPQISSSSYYSNLGFYPQQPEEWYSPGIYELRRMPAETLYQGETEVAEMPVTKKPRMGASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCVMDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTVNEDSEGRDLRQVTSTTKSCREKTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLILTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSDLLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDVQ
  
Inhibitor
Name:
BDBM50323521
Synonyms:
3-(2,6-dichlorophenyl)-5-isopropyl-4-((4-methyl-5-nitropyridin-2-yloxy)methyl)isoxazole | CHEMBL1209059
Type:
Small organic molecule
Emp. Form.:
C19H17Cl2N3O4
Mol. Mass.:
422.262
SMILES:
CC(C)c1[o+][n-]c(c1COc1cc(C)c(cn1)[N+]([O-])=O)-c1c(Cl)cccc1Cl |(22.17,-16.64,;21.14,-17.78,;19.63,-17.46,;21.61,-19.25,;23.08,-19.73,;23.08,-21.27,;21.61,-21.74,;20.7,-20.5,;19.16,-20.5,;18.39,-21.83,;16.85,-21.83,;16.08,-23.16,;14.53,-23.16,;13.76,-24.49,;13.77,-21.82,;14.54,-20.49,;16.07,-20.49,;12.23,-21.82,;11.46,-20.48,;11.45,-23.15,;21.58,-23.28,;22.89,-24.07,;24.24,-23.32,;22.86,-25.61,;21.51,-26.35,;20.19,-25.55,;20.23,-24.01,;18.91,-23.21,)|
Structure:
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